3-[[(2R)-2-hydroxypropyl]amino]-1H-pyridazin-6-one

C7H11N3O2 — CID 94830614

IUPAC3-[[(2R)-2-hydroxypropyl]amino]-1H-pyridazin-6-one
SMILESC[C@@H](O)CNc1ccc(=O)[nH]n1
InChIInChI=1S/C7H11N3O2/c1-5(11)4-8-6-2-3-7(12)10-9-6/h2-3,5,11H,4H2,1H3,(H,8,9)(H,10,12)/t5-/m1/s1
InChIKeyCNEZLSGYQWSCRI-RXMQYKEDSA-N
MW169.18 g/mol
LogP-0.44
Rot. Bonds3

About 3-[[(2R)-2-hydroxypropyl]amino]-1H-pyridazin-6-one

3-[[(2R)-2-hydroxypropyl]amino]-1H-pyridazin-6-one (PubChem CID 94830614) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-[[(2R)-2-hydroxypropyl]amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[(2R)-2-hydroxypropyl]amino]-1H-pyridazin-6-one
PubChem CID94830614
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-[[(2R)-2-hydroxypropyl]amino]-1H-pyridazin-6-one
SMILESC[C@@H](O)CNc1ccc(=O)[nH]n1
InChIInChI=1S/C7H11N3O2/c1-5(11)4-8-6-2-3-7(12)10-9-6/h2-3,5,11H,4H2,1H3,(H,8,9)(H,10,12)/t5-/m1/s1
InChIKeyCNEZLSGYQWSCRI-RXMQYKEDSA-N
XLogP-0.44
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-hydroxypropyl]amino]-1H-pyridazin-6-one?
The IUPAC name of 3-[[(2R)-2-hydroxypropyl]amino]-1H-pyridazin-6-one (CID 94830614) is 3-[[(2R)-2-hydroxypropyl]amino]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[(2R)-2-hydroxypropyl]amino]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[(2R)-2-hydroxypropyl]amino]-1H-pyridazin-6-one is C[C@@H](O)CNc1ccc(=O)[nH]n1.
What is the InChIKey of 3-[[(2R)-2-hydroxypropyl]amino]-1H-pyridazin-6-one?
The InChIKey is CNEZLSGYQWSCRI-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5(11)4-8-6-2-3-7(12)10-9-6/h2-3,5,11H,4H2,1H3,(H,8,9)(H,10,12)/t5-/m1/s1.
What are the key properties of 3-[[(2R)-2-hydroxypropyl]amino]-1H-pyridazin-6-one?
3-[[(2R)-2-hydroxypropyl]amino]-1H-pyridazin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-hydroxypropyl]amino]-1H-pyridazin-6-one is sourced from PubChem (CID 94830614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).